Title Study of biologically active molecule structure, photodynamics and interactions with water by the means of vibrational spectroscopy /
Translation of Title Biologiškai aktyvių molekulių struktūros, vidinės fotodinamikos ir sąveikos su vandens molekulėmis tyrimas virpesinės spektrometrijos metodais.
Authors Platakytė, Rasa
DOI 10.15388/vu.thesis.326
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Pages 180
Keywords [eng] vibrational spectroscopy ; matrix isolation ; hydrogen bonding ; quantum chemistry
Abstract [eng] The goal set for the thesis was the application of low temperature matrix isolation method in combination with vibrational spectroscopy for the analysis of molecules possessing intramolecular hydrogen bond – malondialdehyde and acetylacetone derivatives, as well as acetylsalicylic and salicylic acids. Two methods were developed during the research – the sample preparation of the molecules with low vapor pressure and the combination of Raman spectroscopy with matrix isolation. Matrix isolation allows the observation of processes such as proton transfer and the formation of higher energy isomers. The studies presented in the dissertation proved that proton tunneling takes place in chloromalondialdehyde molecule isolated in a low-temperature matrix environment. It was shown that four out of eight open enol isomers of chloromalondialdehyde molecule can be produced in the matrix environment by exposure to ultraviolet laser radiation. It was proven for the first time that a higher-energy isomer of an asymmetric trifluoroacetylacetone molecule exists in low temperature matrices, and that its concentration depends on the environment surrounding the molecules. The analysis of the active substances of anti-inflammatory drugs was presented – showing the conformational diversity of acetylsalicylic and salicylic acid, and the complexes formed with water molecules in low temperature matrix environment.
Dissertation Institution Vilniaus universitetas.
Type Doctoral thesis
Language English
Publication date 2022